Recent development of vacancy formation energy

Recent development of vacancy formation energy

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时间:2019-07-10

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1、AppliedMechanicsandMaterials,v456,p429-432,2014RecentdevelopmentofvacancyformationenergyXiaohuaYU1,a,zhaolinZHAN1*,b,JuRong2,c,YuanWANG3,d1.FacultyofMaterialsScienceandEngineering,KunmingUniversityofScienceandTechnology,Kunming650093,China;2.InstituteofMetalResearch,ChineseAcademyofSc

2、iences,Shenyang110016,china;3.SchoolofMachinery&TransportationEngineering,SouthwestForestryUniversity,Kunming650224,China.aemail:xiaohua_y@163.com,bemail:zl_zhan@sohu.comcemail:382422319@qq.com,demail:wyuan88@126.comKeywords:Vacancy;Vacancyformationenergy;Nano-scale;Researchstatus;Phy

3、sicalproperties;ThermodynamicpropertiesAbstract:Vacanciesofthecrystalisoneofthecoreissuesinsolidphysics,solidstatechemistry,metallurgyandmaterialsscience.Inthispaper,wepresentthelatestresearchonthevacancyformationenergyandsizedependenceofvacancyformationenergy.Accordingtothevacancyfor

4、mationenergyofcommonmethodsandcommondescriptionofthevacancyformationenergytheory,thevcancyformationenergycharacterization,calculationandsimulationmethodsaredescribed;thenatureandoriginofthevacancyinNano-scaleisanalyzed.finally,furtherresearchwillfocusonthepropertiesmechanismsoftheothe

5、rphysicalproperties,mechanicalpropertiesandthermodynamicinmaterials.IntroductionVacancyisthemostbasicandcommondefectsinsolid,Themainparametersfordescribingthevacancyisitsformationenergy.Vacancyhasimportantimplicationsonmaterialsphysics,mechanics,thermodynamics,electricalandotherproper

6、ties,itisoneofthemostcoreissuesinthesolidstatephysics,solidstatechemistry,metallurgyaswellasmaterialsscience[1-3].Detailedstudytheformationmechanismandthedistributionofvacancy,isaveryimportantsignificanceforfurthergraspingthemacroscopicandmicroscopicproperties.Typically,therearetwomet

7、hodstoinferthedistributionandavailabilityofvacancy,namelythedirectmethodandindirectmethod.Thecommonindirectmethodisresistivity[4],surfaceenergy,Young'smodulus[5,6],melting[7],thelatticeconstant,density,thermalcapacityandsoon.Thedirectcommonmethodisfluorescence,electronspinresonancemet

8、hod[8

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